2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C18H25NO2 — CID 103278012

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(C1CC(C)=CC(C)C1)CC2N
InChIInChI=1S/C18H25NO2/c1-11-6-12(2)8-13(7-11)17-10-16(19)15-5-4-14(20-3)9-18(15)21-17/h4-6,9,11,13,16-17H,7-8,10,19H2,1-3H3
InChIKeyVAOIUPCEDIAMKN-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.84
Rot. Bonds2

About 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103278012) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID103278012
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(C1CC(C)=CC(C)C1)CC2N
InChIInChI=1S/C18H25NO2/c1-11-6-12(2)8-13(7-11)17-10-16(19)15-5-4-14(20-3)9-18(15)21-17/h4-6,9,11,13,16-17H,7-8,10,19H2,1-3H3
InChIKeyVAOIUPCEDIAMKN-UHFFFAOYSA-N
XLogP3.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103278037
7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708777
(4S)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 103277996
(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 103277997
(4S)-6-chloro-2-(3,5-dimethylcyclohex-3-en-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103278027
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 103278012) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(C1CC(C)=CC(C)C1)CC2N.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VAOIUPCEDIAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-11-6-12(2)8-13(7-11)17-10-16(19)15-5-4-14(20-3)9-18(15)21-17/h4-6,9,11,13,16-17H,7-8,10,19H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 287.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103278012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).